Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.33 |
| ▸ | STK39 | Q9UEW8 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.32 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4355433 | 0.89 | TSHR (0.43) | ALDH1A1SMN1; SMN2GAASTK39MEN1 | |
| SCHEMBL4354101 | 0.87 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2GAASTK39MEN1 | |
| SCHEMBL4342472 | 0.86 | P2RY1 (0.41) | ALDH1A1P2RY1STK39MEN1KMT2A | |
| SCHEMBL4350861 | 0.82 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2GAAP2RY1MEN1 | |
| SCHEMBL4351937 | 0.82 | MAPK1 (0.33) | ALDH1A1GAAMEN1KMT2AMAPK1 | |
| SCHEMBL4348453 | 0.82 | PDE2A (0.42) | SMN1; SMN2P2RX1P2RX4P2RX7TMPRSS4 | |
| SCHEMBL4348034 | 0.76 | MEN1 (0.38) | ALDH1A1P2RY1MEN1KMT2AGRM4 | |
| SCHEMBL4349857 | 0.76 | POLB (0.41) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL4347618 | 0.75 | PKM (0.39) | ALDH1A1SMN1; SMN2GAAMEN1KMT2A | |
| SCHEMBL4351425 | 0.75 | EPHX2 (0.37) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |